5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one

C46H29N7O — CID 164776268

IUPAC5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc2c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n12
InChIInChI=1S/C46H29N7O/c54-46-52-38-27-15-13-25-34(38)40(44-50-42(32-21-9-3-10-22-32)49-43(51-44)33-23-11-4-12-24-33)41(52)35-26-14-16-28-39(35)53(46)45-47-36(30-17-5-1-6-18-30)29-37(48-45)31-19-7-2-8-20-31/h1-29H
InChIKeyLVZJNNGSYWQBQD-UHFFFAOYSA-N
MW695.79 g/mol
LogP9.71
Rot. Bonds6

About 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one

5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one (PubChem CID 164776268) has the molecular formula C46H29N7O and a molecular weight of 695.79 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
PubChem CID164776268
Molecular FormulaC46H29N7O
Molecular Weight695.79 g/mol
Exact Mass695.24
IUPAC Name5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc2c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n12
InChIInChI=1S/C46H29N7O/c54-46-52-38-27-15-13-25-34(38)40(44-50-42(32-21-9-3-10-22-32)49-43(51-44)33-23-11-4-12-24-33)41(52)35-26-14-16-28-39(35)53(46)45-47-36(30-17-5-1-6-18-30)29-37(48-45)31-19-7-2-8-20-31/h1-29H
InChIKeyLVZJNNGSYWQBQD-UHFFFAOYSA-N
XLogP9.71
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.79
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
CID 155120301
10-(4,6-diphenylpyrimidin-2-yl)-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 164757226
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 169037226
10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517558
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
CID 146638502
7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 171448271
10-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 171748647
11-(4,6-diphenylpyrimidin-2-yl)-10-phenylindolo[1,2-a]benzimidazole
CID 71276696
4-(4,6-diphenylpyrimidin-2-yl)-1,4-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25,27-tridecaene
CID 118330731
11-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169036862
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one?
The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one (CID 164776268) is 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one is O=c1n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc2c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n12.
What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one?
The InChIKey is LVZJNNGSYWQBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N7O/c54-46-52-38-27-15-13-25-34(38)40(44-50-42(32-21-9-3-10-22-32)49-43(51-44)33-23-11-4-12-24-33)41(52)35-26-14-16-28-39(35)53(46)45-47-36(30-17-5-1-6-18-30)29-37(48-45)31-19-7-2-8-20-31/h1-29H.
What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one?
5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one has a molecular weight of 695.79 g/mol, XLogP of 9.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 164776268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).